N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C11H16N4O3S2 — CID 125060441

IUPACN-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1
InChIInChI=1S/C11H16N4O3S2/c1-6(16)12-10-13-14-11(19-10)20(17,18)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H,12,13,16)/t7-,8-,9-/m0/s1
InChIKeyPTLFUSCQMKDKAV-CIUDSAMLSA-N
MW316.41 g/mol
LogP0.96
Rot. Bonds4

About N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 125060441) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID125060441
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC NameN-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1
InChIInChI=1S/C11H16N4O3S2/c1-6(16)12-10-13-14-11(19-10)20(17,18)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H,12,13,16)/t7-,8-,9-/m0/s1
InChIKeyPTLFUSCQMKDKAV-CIUDSAMLSA-N
XLogP0.96
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-bicyclo[2.2.1]heptanylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
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CID 113383321
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CID 100731046
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CID 56919403
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[5-[4-(1-chloroethyl)piperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
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N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 125060441) is N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1.
What is the InChIKey of N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PTLFUSCQMKDKAV-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-6(16)12-10-13-14-11(19-10)20(17,18)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H,12,13,16)/t7-,8-,9-/m0/s1.
What are the key properties of N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 125060441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).